methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate

C12H12O3 — CID 115023302

IUPACmethyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\c1cccc(O)c1
InChIInChI=1S/C12H12O3/c1-15-12(14)8-3-2-5-10-6-4-7-11(13)9-10/h2-9,13H,1H3/b5-2+,8-3-
InChIKeyCLKNCFWMGYDBMJ-GUYPDVCDSA-N
MW204.22 g/mol
LogP2.13
Rot. Bonds3

About methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate

methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate (PubChem CID 115023302) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
PubChem CID115023302
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namemethyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\c1cccc(O)c1
InChIInChI=1S/C12H12O3/c1-15-12(14)8-3-2-5-10-6-4-7-11(13)9-10/h2-9,13H,1H3/b5-2+,8-3-
InChIKeyCLKNCFWMGYDBMJ-GUYPDVCDSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4E)-5-(3-ethylphenyl)penta-2,4-dienoate
CID 127264099
methyl (2Z,4E)-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 115047717
methyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 152502233
methyl (2Z,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 166068269
(1E,4E,6E)-7-(3-hydroxyphenyl)-1-(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 90682173
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
methyl (2E,4E)-5-(3-hydroxyphenyl)-2-methoxypenta-2,4-dienoate
CID 139785088
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
furan-2,5-dione;methyl 5-phenylpenta-2,4-dienoate
CID 157407947
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate?
The IUPAC name of methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate (CID 115023302) is methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate is COC(=O)/C=C\C=C\c1cccc(O)c1.
What is the InChIKey of methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate?
The InChIKey is CLKNCFWMGYDBMJ-GUYPDVCDSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-12(14)8-3-2-5-10-6-4-7-11(13)9-10/h2-9,13H,1H3/b5-2+,8-3-.
What are the key properties of methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate?
methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate has a molecular weight of 204.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E)-5-(3-hydroxyphenyl)penta-2,4-dienoate is sourced from PubChem (CID 115023302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).